1-(3-chloranyl-2-methyl-phenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiourea Formula: C22H27ClN4O3S2 MolecularWeight: 495.05778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C22H27ClN4O3S2/c1-16-18(23)5-4-6-19(16)24-22(31)25-20-15-17(7-8-21(20)26-9-2-3-10-26)32(28,29)27-11-13-30-14-12-27/h4-8,15H,2-3,9-14H2,1H3,(H2,24,25,31)